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Average ligand–residue interaction energies (in kcal/mol) overall in compounds used in the linear interaction energy (LIE) calculations for the residues that contribute most to the ligand-surrounding electrostatic (dashed line) and (solid line) Van der Waals. (A) TYRBm-l-DOPA, (B) TYRBm-l-Tyr, (C) TYRBm-TRO, (D) TYRBm-KA. The 3D structures of this figure are available in Protein Data Bank (PDB) format in the Supplementary Materials Materials (see Figure S5).
